UCSF

ZINC00129382

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 14 Yes

Popular Name: 3-(2-ETHOXYPHENYL)PROPIONIC ACID 3-(2-ETHOXYPHENYL)PROPIONIC ACID

Find On: PubMed — Wikipedia — Google

CAS Numbers: 220285-28-9 , [220285-28-9]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.27 1.23 -50.64 0 3 -1 49 193.222 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 70 - 72 Enamine Building Blocks
MP 70...72 Enamine Building Blocks
MP 76-78° Matrix Scientific
Melting_Point 77-82? Alfa-Aesar
Melting_Point 77-82° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Matrix Scientific
PUBCHEM_PATENT_ID EP0540143A2; EP0540143A3; US5593993; US5658907; US5714503; WO2000001692A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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